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2-propyloctanoic acid

2-propyloctanoic acid

CAS: 31080-41-8

Formula: C11H22O2

SMILES: CCCCCCC(CCC)C(O)=O

IUPAC: 2-propyloctanoic acid

InChI: InChI=1/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)

Composition: C (70.92%), H (11.90%), O (17.18%)

Molar Mass: 186.295

Atom Count: 35

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 186.161979948
Formal Charge 0
FSP3 0.91
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YCYMCMYLORLIJX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.05
Topological Polar Surface Area 37.3
Polarizability 21.5
Ring Count 0
Rotatable Bond Count 8

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